ethyl N-[5-(3-chloro-2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate

C13H11ClFNO5 — CID 90080412

IUPACethyl N-[5-(3-chloro-2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate
SMILESCCOC(=O)Nc1oc(-c2cccc(Cl)c2F)c(O)c1O
InChIInChI=1S/C13H11ClFNO5/c1-2-20-13(19)16-12-10(18)9(17)11(21-12)6-4-3-5-7(14)8(6)15/h3-5,17-18H,2H2,1H3,(H,16,19)
InChIKeyQLJGTGHRYUWGET-UHFFFAOYSA-N
MW315.68 g/mol
LogP3.72
Rot. Bonds3

About ethyl N-[5-(3-chloro-2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate

ethyl N-[5-(3-chloro-2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate (PubChem CID 90080412) has the molecular formula C13H11ClFNO5 and a molecular weight of 315.68 g/mol. Its IUPAC name is ethyl N-[5-(3-chloro-2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-(3-chloro-2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate
PubChem CID90080412
Molecular FormulaC13H11ClFNO5
Molecular Weight315.68 g/mol
Exact Mass315.03
IUPAC Nameethyl N-[5-(3-chloro-2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate
SMILESCCOC(=O)Nc1oc(-c2cccc(Cl)c2F)c(O)c1O
InChIInChI=1S/C13H11ClFNO5/c1-2-20-13(19)16-12-10(18)9(17)11(21-12)6-4-3-5-7(14)8(6)15/h3-5,17-18H,2H2,1H3,(H,16,19)
InChIKeyQLJGTGHRYUWGET-UHFFFAOYSA-N
XLogP3.72
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.68
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethyl N-[5-(3-chloro-2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-(3-chloro-2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate?
The IUPAC name of ethyl N-[5-(3-chloro-2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate (CID 90080412) is ethyl N-[5-(3-chloro-2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate.
What is the SMILES notation for ethyl N-[5-(3-chloro-2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate?
The canonical SMILES for ethyl N-[5-(3-chloro-2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate is CCOC(=O)Nc1oc(-c2cccc(Cl)c2F)c(O)c1O.
What is the InChIKey of ethyl N-[5-(3-chloro-2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate?
The InChIKey is QLJGTGHRYUWGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO5/c1-2-20-13(19)16-12-10(18)9(17)11(21-12)6-4-3-5-7(14)8(6)15/h3-5,17-18H,2H2,1H3,(H,16,19).
What are the key properties of ethyl N-[5-(3-chloro-2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate?
ethyl N-[5-(3-chloro-2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate has a molecular weight of 315.68 g/mol, XLogP of 3.72, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-(3-chloro-2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate is sourced from PubChem (CID 90080412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).